Benzene, 2-iodo-1,3-dimethyl-

HCID 69097CAS 608-28-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc(C)c1I
InChIKey
QTUGGVBKWIYQSS-UHFFFAOYSA-N
Molecular formula
C8H9I
Average molar mass
232.06 g/mol
Monoisotopic mass
231.9749

Names & identifiers

Preferred name
Benzene, 2-iodo-1,3-dimethyl-
IUPAC
2-iodo-1,3-dimethylbenzene
English name
2-Iodo-1,3-dimethylbenzene
Molecular formula
C8H9I
Molecular weight
232.06

Names & synonyms

2-Iodo-1,3-dimethylbenzene2-Iodo-m-xylene2,6-DimethyliodobenzeneBenzene, 2-iodo-1,3-dimethyl-m-Xylene, 2-iodo-NSC 9265DTXSID5060560RefChem:562576m-Xylene, 2-iodo-(8CI)DTXCID4042882612-042-2608-28-6
Show more names
2-Jod-m-xylol2-IODO-O-XYLENEm-Xylene,2-iodo-I**2-IODO-M-XYLENE2-Iodo-m-xylene>2-Iodo-m-xylene,98%Iodo-1,3-diMethylbe
1,3-dimethyl-2-iodobenzeneMFCD000190122-iodo-1,3-dimethyl-benzene2,6-dimethyl iodobenzeneNSC-92652-Iodo-1,3-dimethylbenzene, 97%SY029575EN300-7263652

Database identifiers

CAS
608-28-6
PubChem CID
69097
DTXSID
DTXSID5060560
UNII
6S6HK49ETP
EC Number
612-042-2
Nikkaji
J96.163I

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

Kovats Retention Index1241.9

Physicochemical properties

Melting point
11.2 °C · 11.2°C
Boiling point
223 · 223-224 °C (lit.)
Density
1.608 g/mL · 1.608 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.6030(lit.)
Flash point
216 °F · 216 °F
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (84.8%)；Eye Irrit. 2 (15.2%)；STOT SE 3 (95.7%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29039990
risk_code
37/38-41-36/37/38
Signal word
Danger

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 2-iodo-1,3-dimethyl-: ACTIVE

Applications

Uses2-Iodo-m-xylene is used in the preparation of p-(arylethynyl)arylpropanoic acid derivatives as free fatty acid receptor 1 agonists with low lipophilicity and high oral bioavailability.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

8 records
New reaction record

Linked notes

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